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Fostemsavir Tris

CAT: 1568-C03438-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C03438-5mgSize:5 mg
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CAS Number
864953-39-9
Synonyms
BMS-663068 Tris
Target
HIV
Applications
Microbiology
Molecular Formula
C25H26N7O8P.C4H11NO3
Additionnal Information
Fostemsavir Tris (BMS-663068 Tris) is a phosphonooxymethyl prodrug of BMS-626529, formulated as a tris (hydroxymethyl) aminomethane salt. It inhibits human immunodeficiency virus type 1 (HIV-1) by binding to the gp120 protein, preventing the virus from attaching to CD4+ T-cells.

Chemical Information

Fostemsavir Tromethamine

Fostemsavir (brand name: Rukobia) is a prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of HIV in adults for whom other HIV medicines have not worked and who meet certain requirements, as determined by a health care provider. Fostemsavir is always used in combination with other HIV medicines.

CAS Number864953-39-9
PubChem CID46892186
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
Molecular FormulaC29H37N8O11P
Molecular Weight704.6
Topological Polar Surface Area269
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count49
Formal Charge0
Complexity1070
SMILES
CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OC.C(C(CO)(CO)N)O
InChI
InChI=1S/C25H26N7O8P.C4H11NO3/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17;5-4(1-6,2-7)3-8/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38);6-8H,1-3,5H2
InChIKey
RRGJSMBMTOKHTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fostemsavir Tromethamine
CAS: 864953-39-9
CID: 46892186
Formula: C29H37N8O11P
MW: 704.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight704.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass704.23194102
Monoisotopic Mass704.23194102
Topological Polar Surface Area269 Ų
Heavy Atom Count49
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T10570-01Fostemsavir Tris
HY-15440BRFostemsavir Tris (Standard)
HY-15440A-01Fostemsavir
T68285-01Fostemsavir dihydrate
MBS5811070Fostemsavir disodium

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